N-[(2-fluorophenyl)methyl]-3-phenylsulfanylpropan-1-amine

C16H18FNS — CID 4788879

IUPACN-[(2-fluorophenyl)methyl]-3-phenylsulfanylpropan-1-amine
SMILESFc1ccccc1CNCCCSc1ccccc1
InChIInChI=1S/C16H18FNS/c17-16-10-5-4-7-14(16)13-18-11-6-12-19-15-8-2-1-3-9-15/h1-5,7-10,18H,6,11-13H2
InChIKeyYUBQDXVPTKHGTE-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.10
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-3-phenylsulfanylpropan-1-amine

N-[(2-fluorophenyl)methyl]-3-phenylsulfanylpropan-1-amine (PubChem CID 4788879) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-phenylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-phenylsulfanylpropan-1-amine
PubChem CID4788879
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC NameN-[(2-fluorophenyl)methyl]-3-phenylsulfanylpropan-1-amine
SMILESFc1ccccc1CNCCCSc1ccccc1
InChIInChI=1S/C16H18FNS/c17-16-10-5-4-7-14(16)13-18-11-6-12-19-15-8-2-1-3-9-15/h1-5,7-10,18H,6,11-13H2
InChIKeyYUBQDXVPTKHGTE-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-fluorophenyl)methyl]-3-phenylsulfanylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
2,3,4,5-Tetrahydrobenzo[f][1,4]thiazepine
CID 12269106
Tifacogin
CID 961320
N-(2-((bis(4-fluorophenyl)methyl)thio)ethyl)-3-phenylpropan-1-amine
CID 10430935
N-Benzyl-2-p-tolylsulfanyl-acetamide
CID 846551
N-benzyl-2-(phenylthio)acetamide
CID 846429
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
N-(4-fluorobenzyl)-2-[(4-fluorobenzyl)thio]acetamide
CID 5045192
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795
N-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide
CID 894919

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-phenylsulfanylpropan-1-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-phenylsulfanylpropan-1-amine (CID 4788879) is N-[(2-fluorophenyl)methyl]-3-phenylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-phenylsulfanylpropan-1-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-phenylsulfanylpropan-1-amine is Fc1ccccc1CNCCCSc1ccccc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-phenylsulfanylpropan-1-amine?
The InChIKey is YUBQDXVPTKHGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c17-16-10-5-4-7-14(16)13-18-11-6-12-19-15-8-2-1-3-9-15/h1-5,7-10,18H,6,11-13H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-3-phenylsulfanylpropan-1-amine?
N-[(2-fluorophenyl)methyl]-3-phenylsulfanylpropan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-phenylsulfanylpropan-1-amine is sourced from PubChem (CID 4788879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).